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Solids modeled by ab initio crystal field methods. Part 14. Structure of four polymorphic forms of sulfapyridine

✍ Scribed by K. Franckaerts; A. Peeters; A. T. H. Lenstra; C. Van Alsenoy


Book ID
112083107
Publisher
John Wiley and Sons
Year
1997
Weight
120 KB
Volume
2
Category
Article
ISSN
1082-4928

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Solids modeled by ab initio crystal fiel
✍ Joris van Droogenbroeck; Ben Swerts; Lothar SchΓ€fer; Christian van Alsenoy πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 160 KB πŸ‘ 1 views

## Abstract To eliminate the cutoff effects in the supermolecule model (SM), the Fock matrix transformed supermolecule model (FTSM) is developed. In this model a cyclization of the cluster is performed by means of transformations of elements of the Fock matrix, thereby restoring the translational s